N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide

C21H18N4O4S2 — CID 176859522

IUPACN-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)sc2C)nc1
InChIInChI=1S/C21H18N4O4S2/c1-12-7-8-17(22-10-12)18-13(2)30-21(24-18)25-20(26)16-11-23-29-19(16)14-5-4-6-15(9-14)31(3,27)28/h4-11H,1-3H3,(H,24,25,26)
InChIKeyFGQDLAJVPZMEHB-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.13
Rot. Bonds5

About N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide

N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 176859522) has the molecular formula C21H18N4O4S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID176859522
Molecular FormulaC21H18N4O4S2
Molecular Weight454.53 g/mol
Exact Mass454.08
IUPAC NameN-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2nc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)sc2C)nc1
InChIInChI=1S/C21H18N4O4S2/c1-12-7-8-17(22-10-12)18-13(2)30-21(24-18)25-20(26)16-11-23-29-19(16)14-5-4-6-15(9-14)31(3,27)28/h4-11H,1-3H3,(H,24,25,26)
InChIKeyFGQDLAJVPZMEHB-UHFFFAOYSA-N
XLogP4.13
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide (CID 176859522) is N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(-c2nc(NC(=O)c3cnoc3-c3cccc(S(C)(=O)=O)c3)sc2C)nc1.
What is the InChIKey of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is FGQDLAJVPZMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S2/c1-12-7-8-17(22-10-12)18-13(2)30-21(24-18)25-20(26)16-11-23-29-19(16)14-5-4-6-15(9-14)31(3,27)28/h4-11H,1-3H3,(H,24,25,26).
What are the key properties of N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide?
N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(5-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-5-(3-methylsulfonylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 176859522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).